CID 11971447

Piperidine, 1-((2-phenyl-1,3-dithiolan-2-yl)methyl)-, hydrochloride

Structural Information

Molecular Formula
C15H21NS2
SMILES
C1CCN(CC1)CC2(SCCS2)C3=CC=CC=C3
InChI
InChI=1S/C15H21NS2/c1-3-7-14(8-4-1)15(17-11-12-18-15)13-16-9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-13H2
InChIKey
XASGKNAUUGJLOM-UHFFFAOYSA-N
Compound name
1-[(2-phenyl-1,3-dithiolan-2-yl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.11154 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11882 162.1
[M+Na]+ 302.10076 167.1
[M-H]- 278.10426 168.8
[M+NH4]+ 297.14536 180.7
[M+K]+ 318.07470 162.3
[M+H-H2O]+ 262.10880 155.1
[M+HCOO]- 324.10974 170.3
[M+CH3COO]- 338.12539 172.1
[M+Na-2H]- 300.08621 161.1
[M]+ 279.11099 157.6
[M]- 279.11209 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.